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GPCR

NameNeuropeptide S receptor
SpeciesHomo sapiens (Human)
GeneNPSR1
SynonymG-protein coupled receptor for asthma susceptibility
vasopressin receptor-related receptor 1
G protein-coupled receptor 154
PGR14
NPS receptor
[ Show all ]
DiseaseNeurological disease
Length371
Amino acid sequenceMPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProtQ6W5P4
Protein Data BankN/A
GPCR-HGmod modelQ6W5P4
3D structure modelThis predicted structure model is from GPCR-EXP Q6W5P4.
BioLiPN/A
Therapeutic Target DatabaseT20958
ChEMBLCHEMBL5162
IUPHAR302
DrugBankBE0000948

Ligand

NameMLS000537437
Molecular formulaC25H19BrF3N3O2S
IUPAC name2-[5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular weight562.405
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.9
SynonymsZINC8416421
2-({5-[2-(4-bromophenyl)-2-oxoethyl]-3-cyano-4,6-dimethyl-2-pyridinyl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMR000161057
CHEMBL1540366
Inchi KeyADLUAFINTBULOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19BrF3N3O2S/c1-14-18(11-22(33)16-7-9-17(26)10-8-16)15(2)31-24(19(14)12-30)35-13-23(34)32-21-6-4-3-5-20(21)25(27,28)29/h3-10H,11,13H2,1-2H3,(H,32,34)
PubChem CID9525184
ChEMBLCHEMBL1540366
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Potency10000.0 nMPubChem BioAssay data setChEMBL

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